>compound Uridine 5'-diphospho-N-acetylgalactosamine_Uridine 5'-diphospho-N-acetylgalactosamine
#instrument UPLC Q-Tof Premier, Waters
>formula C17H27N3O17P2
#smiles OCC(O1)C(O)C(O)C(NC(C)=O)C1OP(O)(=O)OP(O)(=O)OCC(O2)C(O)C(O)C2N(C=3)C(=O)NC(=O)C3
#RECORD LC-ESI-QTOF_train_data/PR100619.txt;LC-ESI-QTOF_train_data/PR100618.txt;LC-ESI-QTOF_train_data/PR100211.txt
>charge -1
>ionization [M-H]-
>parentmass 606.07377

>collision 30
78.9601 1496.0
96.9703 783.6
111.0202 576.3
158.9255 1835.0
174.9803 202.1
176.9357 649.5
211.0011 110.8
260.9576 244.0
264.0282 196.0
272.9575 1961.0
282.0391 1203.0
300.0496 227.8
305.0194 383.9
323.0296 451.0
362.0054 290.7
384.9845 1423.0
402.9949 522.6
606.0738 119.6

>collision 5-60
78.9606 1478.0
96.9706 497.4
158.9267 1387.0
272.9594 704.4
282.0409 602.7
384.9871 849.3
402.9978 413.4
606.0738 3362.0

>collision 5-60
96.0432 11.76
98.0603 10.73
105.0705 17.42
121.066 12.26
126.0564 14.36
138.0568 23.88
144.0667 31.34
168.067 10.96
175.0224 7.621
186.0761 38.83
204.0888 93.43
235.0529 8.119
295.0777 9.228
355.1045 6.475
415.1355 8.053
608.0894 4.779
727.24 4.746

